SCHEMBL3360058

SCHEMBL3360058

CS(=O)(=O)c1ccc(-c2cc3c(c(Nc4ccc(C5CCNCC5)cc4)n2)C(=O)[N]C=C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.40
PTK2 Q05397 2/20 0.40
SYK P43405 7/20 0.39
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
PLAT P00750 1/20 0.36
JAK2 O60674 1/20 0.36
ALK Q9UM73 1/20 0.35
PTGS2 P35354 4/20 0.35
PSD A5PKW4 1/20 0.35
ZAP70 P43403 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3359057 0.91 SYK (0.41) SYKALKZAP70
SCHEMBL3359025 0.87 SYK (0.42) JAK3PTK2SYKJAK2ALK
SCHEMBL3358710 0.85 JAK2 (0.45) JAK3PTK2SYKJAK2ZAP70
SCHEMBL3362371 0.84 SYK (0.38) SYKZAP70
SCHEMBL3357802 0.83 ALK (0.39) JAK3SYKIKBKBJAK2ALK
SCHEMBL3363275 0.83 ZAP70 (0.38) JAK3SYKZAP70
SCHEMBL3362286 0.82 ALK (0.36) JAK3SYKIKBKBJAK2ALK
SCHEMBL3359859 0.82 JAK3 (0.40) JAK3PTK2SYKIKBKBCHUK
SCHEMBL3362356 0.81 BTK (0.38) JAK3PTK2SYKJAK2ALK
SCHEMBL3358388 0.80 MAP3K12 (0.39) JAK3SYKZAP70

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed